Compounds > THZ531
Page last updated: 2024-11-13

THZ531

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Description

THZ531: inhibits both CDK12 and CDK13; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

THZ531 : A member of the class of indoles that is 5-chloro-4-(1H-indol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine in which the piperidine NH group is substituted by a 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}benzoyl group. It is a first-in-class CDK12 and CDK13 covalent kinase inhibitor with IC50 of 158 nM and 69 nM, respectively. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID118025540
CHEMBL ID4163879
CHEBI ID143122
SCHEMBL ID16655248
SCHEMBL ID16655252

Synonyms (31)

Synonym
thz531
thz-531
(r,e)-n-(4-(3-((5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide
1702809-17-3
(2e)-n-(4-{[(3r)-3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}piperidin-1-yl]carbonyl}phenyl)-4-(dimethylamino)but-2-enamide
CHEBI:143122
(e)-n-[4-[(3r)-3-[[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide
S6595
AC-31604
SCHEMBL16655248
SCHEMBL16655252
BCP28996
thz531; thz 531
EX-A1532
BS-16034
CS-0015451
HY-103618
AMY16834
(r,e)-n-(4-(3-(5-chloro-4-(1h-indol-3-yl)pyrimidin-2-ylamino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide
C73275
CHEMBL4163879 ,
AKOS037648923
A902275
nsc-821656
thz-531 hcl
thz531 hcl
nsc821656
bdbm50528813
CTC80917
thz 531
Z3083111642
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (3)

RoleDescription
apoptosis inducerAny substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
antineoplastic agentA substance that inhibits or prevents the proliferation of neoplasms.
EC 2.7.11.22 (cyclin-dependent kinase) inhibitorAn EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (7)

ClassDescription
indolesAny compound containing an indole skeleton.
organochlorine compoundAn organochlorine compound is a compound containing at least one carbon-chlorine bond.
N-acylpiperidine
aminopyrimidineA member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives.
enamideAn alpha,beta-unsaturated carboxylic acid amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5) in which the amide C=O function is conjugated to a C=C double bond at the alpha,beta position.
secondary carboxamideA carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1).
secondary amino compoundA compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (12)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
PPM1D proteinHomo sapiens (human)Potency1.47400.00529.466132.9993AID1347411
Interferon betaHomo sapiens (human)Potency1.47400.00339.158239.8107AID1347411
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Cyclin-T1Homo sapiens (human)IC50 (µMol)0.51350.00100.55858.0000AID1609471; AID1769505
Cyclin-KHomo sapiens (human)IC50 (µMol)0.26560.00300.26561.3700AID1609469; AID1609470; AID1743750; AID1743751; AID1769506; AID1769507
Cyclin-A2Homo sapiens (human)IC50 (µMol)1.30000.00041.033910.0000AID1769503
Cyclin-dependent kinase 2Homo sapiens (human)IC50 (µMol)1.30000.00041.044410.0000AID1769503
Cyclin-dependent kinase 7Homo sapiens (human)IC50 (µMol)4.40250.00010.91069.2000AID1609468; AID1651608; AID1651611; AID1769504
Cyclin-dependent kinase 9Homo sapiens (human)IC50 (µMol)0.51350.00100.62368.0000AID1609471; AID1769505
Cyclin-HHomo sapiens (human)IC50 (µMol)5.81730.00051.08239.2000AID1609468; AID1651611; AID1769504
CDK-activating kinase assembly factor MAT1Homo sapiens (human)IC50 (µMol)8.50000.00301.68929.2000AID1609468; AID1651611
Cyclin-dependent kinase 13Homo sapiens (human)IC50 (µMol)0.26500.01000.44042.2000AID1609470; AID1743751; AID1769507
Cyclin-dependent kinase 12Homo sapiens (human)IC50 (µMol)2.32470.00701.01758.5000AID1609469; AID1651619; AID1743750; AID1769506
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (115)

Processvia Protein(s)Taxonomy
regulation of cyclin-dependent protein serine/threonine kinase activityCyclin-T1Homo sapiens (human)
transcription by RNA polymerase IICyclin-T1Homo sapiens (human)
response to xenobiotic stimulusCyclin-T1Homo sapiens (human)
positive regulation of transcription elongation by RNA polymerase IICyclin-T1Homo sapiens (human)
positive regulation by host of viral transcriptionCyclin-T1Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICyclin-T1Homo sapiens (human)
cell divisionCyclin-T1Homo sapiens (human)
regulation of transcription by RNA polymerase IICyclin-T1Homo sapiens (human)
positive regulation of DNA-templated transcription, elongationCyclin-T1Homo sapiens (human)
DNA damage responseCyclin-KHomo sapiens (human)
regulation of cyclin-dependent protein serine/threonine kinase activityCyclin-KHomo sapiens (human)
transcription by RNA polymerase IICyclin-KHomo sapiens (human)
regulation of signal transductionCyclin-KHomo sapiens (human)
positive regulation of transcription elongation by RNA polymerase IICyclin-KHomo sapiens (human)
negative regulation by host of viral genome replicationCyclin-KHomo sapiens (human)
cell divisionCyclin-KHomo sapiens (human)
regulation of transcription by RNA polymerase IICyclin-KHomo sapiens (human)
positive regulation of DNA-templated transcription, elongationCyclin-KHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell activation involved in immune responseInterferon betaHomo sapiens (human)
cell surface receptor signaling pathwayInterferon betaHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to virusInterferon betaHomo sapiens (human)
positive regulation of autophagyInterferon betaHomo sapiens (human)
cytokine-mediated signaling pathwayInterferon betaHomo sapiens (human)
natural killer cell activationInterferon betaHomo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT proteinInterferon betaHomo sapiens (human)
cellular response to interferon-betaInterferon betaHomo sapiens (human)
B cell proliferationInterferon betaHomo sapiens (human)
negative regulation of viral genome replicationInterferon betaHomo sapiens (human)
innate immune responseInterferon betaHomo sapiens (human)
positive regulation of innate immune responseInterferon betaHomo sapiens (human)
regulation of MHC class I biosynthetic processInterferon betaHomo sapiens (human)
negative regulation of T cell differentiationInterferon betaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIInterferon betaHomo sapiens (human)
defense response to virusInterferon betaHomo sapiens (human)
type I interferon-mediated signaling pathwayInterferon betaHomo sapiens (human)
neuron cellular homeostasisInterferon betaHomo sapiens (human)
cellular response to exogenous dsRNAInterferon betaHomo sapiens (human)
cellular response to virusInterferon betaHomo sapiens (human)
negative regulation of Lewy body formationInterferon betaHomo sapiens (human)
negative regulation of T-helper 2 cell cytokine productionInterferon betaHomo sapiens (human)
positive regulation of apoptotic signaling pathwayInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell differentiationInterferon betaHomo sapiens (human)
natural killer cell activation involved in immune responseInterferon betaHomo sapiens (human)
adaptive immune responseInterferon betaHomo sapiens (human)
T cell activation involved in immune responseInterferon betaHomo sapiens (human)
humoral immune responseInterferon betaHomo sapiens (human)
G1/S transition of mitotic cell cycleCyclin-A2Homo sapiens (human)
G2/M transition of mitotic cell cycleCyclin-A2Homo sapiens (human)
regulation of DNA replicationCyclin-A2Homo sapiens (human)
DNA-templated transcriptionCyclin-A2Homo sapiens (human)
Ras protein signal transductionCyclin-A2Homo sapiens (human)
animal organ regenerationCyclin-A2Homo sapiens (human)
response to glucagonCyclin-A2Homo sapiens (human)
cellular response to platelet-derived growth factor stimulusCyclin-A2Homo sapiens (human)
post-translational protein modificationCyclin-A2Homo sapiens (human)
cellular response to leptin stimulusCyclin-A2Homo sapiens (human)
cell cycle G1/S phase transitionCyclin-A2Homo sapiens (human)
positive regulation of DNA-templated transcriptionCyclin-A2Homo sapiens (human)
positive regulation of fibroblast proliferationCyclin-A2Homo sapiens (human)
cell divisionCyclin-A2Homo sapiens (human)
cellular response to cocaineCyclin-A2Homo sapiens (human)
cellular response to luteinizing hormone stimulusCyclin-A2Homo sapiens (human)
cellular response to estradiol stimulusCyclin-A2Homo sapiens (human)
cellular response to hypoxiaCyclin-A2Homo sapiens (human)
cellular response to nitric oxideCyclin-A2Homo sapiens (human)
cochlea developmentCyclin-A2Homo sapiens (human)
cellular response to insulin-like growth factor stimulusCyclin-A2Homo sapiens (human)
positive regulation of DNA biosynthetic processCyclin-A2Homo sapiens (human)
regulation of cyclin-dependent protein serine/threonine kinase activityCyclin-A2Homo sapiens (human)
mitotic cell cycle phase transitionCyclin-A2Homo sapiens (human)
G1/S transition of mitotic cell cycleCyclin-dependent kinase 2Homo sapiens (human)
G2/M transition of mitotic cell cycleCyclin-dependent kinase 2Homo sapiens (human)
negative regulation of transcription by RNA polymerase IICyclin-dependent kinase 2Homo sapiens (human)
DNA replicationCyclin-dependent kinase 2Homo sapiens (human)
DNA repairCyclin-dependent kinase 2Homo sapiens (human)
chromatin remodelingCyclin-dependent kinase 2Homo sapiens (human)
DNA-templated transcriptionCyclin-dependent kinase 2Homo sapiens (human)
protein phosphorylationCyclin-dependent kinase 2Homo sapiens (human)
potassium ion transportCyclin-dependent kinase 2Homo sapiens (human)
centriole replicationCyclin-dependent kinase 2Homo sapiens (human)
Ras protein signal transductionCyclin-dependent kinase 2Homo sapiens (human)
regulation of mitotic cell cycleCyclin-dependent kinase 2Homo sapiens (human)
positive regulation of cell population proliferationCyclin-dependent kinase 2Homo sapiens (human)
peptidyl-serine phosphorylationCyclin-dependent kinase 2Homo sapiens (human)
positive regulation of heterochromatin formationCyclin-dependent kinase 2Homo sapiens (human)
mitotic G1 DNA damage checkpoint signalingCyclin-dependent kinase 2Homo sapiens (human)
positive regulation of DNA-templated DNA replication initiationCyclin-dependent kinase 2Homo sapiens (human)
telomere maintenance in response to DNA damageCyclin-dependent kinase 2Homo sapiens (human)
post-translational protein modificationCyclin-dependent kinase 2Homo sapiens (human)
positive regulation of DNA replicationCyclin-dependent kinase 2Homo sapiens (human)
positive regulation of DNA-templated transcriptionCyclin-dependent kinase 2Homo sapiens (human)
centrosome duplicationCyclin-dependent kinase 2Homo sapiens (human)
cell divisionCyclin-dependent kinase 2Homo sapiens (human)
meiotic cell cycleCyclin-dependent kinase 2Homo sapiens (human)
cellular response to nitric oxideCyclin-dependent kinase 2Homo sapiens (human)
cellular senescenceCyclin-dependent kinase 2Homo sapiens (human)
regulation of anaphase-promoting complex-dependent catabolic processCyclin-dependent kinase 2Homo sapiens (human)
regulation of G2/M transition of mitotic cell cycleCyclin-dependent kinase 2Homo sapiens (human)
signal transductionCyclin-dependent kinase 2Homo sapiens (human)
regulation of gene expressionCyclin-dependent kinase 2Homo sapiens (human)
response to organic substanceCyclin-dependent kinase 2Homo sapiens (human)
DNA repairCyclin-dependent kinase 7Homo sapiens (human)
transcription by RNA polymerase IICyclin-dependent kinase 7Homo sapiens (human)
transcription initiation at RNA polymerase II promoterCyclin-dependent kinase 7Homo sapiens (human)
snRNA transcription by RNA polymerase IICyclin-dependent kinase 7Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICyclin-dependent kinase 7Homo sapiens (human)
protein stabilizationCyclin-dependent kinase 7Homo sapiens (human)
cell divisionCyclin-dependent kinase 7Homo sapiens (human)
regulation of cell cycleCyclin-dependent kinase 7Homo sapiens (human)
regulation of G1/S transition of mitotic cell cycleCyclin-dependent kinase 7Homo sapiens (human)
protein phosphorylationCyclin-dependent kinase 7Homo sapiens (human)
regulation of mitotic cell cycleCyclin-dependent kinase 9Homo sapiens (human)
protein phosphorylationCyclin-dependent kinase 9Homo sapiens (human)
DNA repairCyclin-dependent kinase 9Homo sapiens (human)
regulation of DNA repairCyclin-dependent kinase 9Homo sapiens (human)
transcription by RNA polymerase IICyclin-dependent kinase 9Homo sapiens (human)
transcription initiation at RNA polymerase II promoterCyclin-dependent kinase 9Homo sapiens (human)
transcription elongation by RNA polymerase IICyclin-dependent kinase 9Homo sapiens (human)
cell population proliferationCyclin-dependent kinase 9Homo sapiens (human)
replication fork processingCyclin-dependent kinase 9Homo sapiens (human)
regulation of mRNA 3'-end processingCyclin-dependent kinase 9Homo sapiens (human)
positive regulation of transcription elongation by RNA polymerase IICyclin-dependent kinase 9Homo sapiens (human)
positive regulation by host of viral transcriptionCyclin-dependent kinase 9Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICyclin-dependent kinase 9Homo sapiens (human)
regulation of muscle cell differentiationCyclin-dependent kinase 9Homo sapiens (human)
nucleus localizationCyclin-dependent kinase 9Homo sapiens (human)
regulation of cell cycleCyclin-dependent kinase 9Homo sapiens (human)
cellular response to cytokine stimulusCyclin-dependent kinase 9Homo sapiens (human)
negative regulation of protein localization to chromatinCyclin-dependent kinase 9Homo sapiens (human)
positive regulation of protein localization to chromatinCyclin-dependent kinase 9Homo sapiens (human)
transcription elongation-coupled chromatin remodelingCyclin-dependent kinase 9Homo sapiens (human)
protein phosphorylationCyclin-dependent kinase 9Homo sapiens (human)
regulation of transcription by RNA polymerase IICyclin-HHomo sapiens (human)
transcription initiation at RNA polymerase II promoterCyclin-HHomo sapiens (human)
protein stabilizationCyclin-HHomo sapiens (human)
regulation of G1/S transition of mitotic cell cycleCyclin-HHomo sapiens (human)
regulation of cyclin-dependent protein serine/threonine kinase activityCyclin-HHomo sapiens (human)
G1/S transition of mitotic cell cycleCDK-activating kinase assembly factor MAT1Homo sapiens (human)
nucleotide-excision repairCDK-activating kinase assembly factor MAT1Homo sapiens (human)
regulation of transcription by RNA polymerase IICDK-activating kinase assembly factor MAT1Homo sapiens (human)
transcription initiation at RNA polymerase II promoterCDK-activating kinase assembly factor MAT1Homo sapiens (human)
adult heart developmentCDK-activating kinase assembly factor MAT1Homo sapiens (human)
ventricular system developmentCDK-activating kinase assembly factor MAT1Homo sapiens (human)
negative regulation of apoptotic processCDK-activating kinase assembly factor MAT1Homo sapiens (human)
positive regulation of smooth muscle cell proliferationCDK-activating kinase assembly factor MAT1Homo sapiens (human)
response to calcium ionCDK-activating kinase assembly factor MAT1Homo sapiens (human)
regulation of G1/S transition of mitotic cell cycleCDK-activating kinase assembly factor MAT1Homo sapiens (human)
DNA repairCDK-activating kinase assembly factor MAT1Homo sapiens (human)
alternative mRNA splicing, via spliceosomeCyclin-dependent kinase 13Homo sapiens (human)
regulation of signal transductionCyclin-dependent kinase 13Homo sapiens (human)
hemopoiesisCyclin-dependent kinase 13Homo sapiens (human)
positive regulation of transcription elongation by RNA polymerase IICyclin-dependent kinase 13Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICyclin-dependent kinase 13Homo sapiens (human)
regulation of cell cycleCyclin-dependent kinase 13Homo sapiens (human)
negative regulation of stem cell differentiationCyclin-dependent kinase 13Homo sapiens (human)
protein phosphorylationCyclin-dependent kinase 13Homo sapiens (human)
transcription by RNA polymerase IICyclin-dependent kinase 12Homo sapiens (human)
mRNA processingCyclin-dependent kinase 12Homo sapiens (human)
RNA splicingCyclin-dependent kinase 12Homo sapiens (human)
positive regulation of transcription elongation by RNA polymerase IICyclin-dependent kinase 12Homo sapiens (human)
regulation of MAP kinase activityCyclin-dependent kinase 12Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICyclin-dependent kinase 12Homo sapiens (human)
protein autophosphorylationCyclin-dependent kinase 12Homo sapiens (human)
regulation of cell cycleCyclin-dependent kinase 12Homo sapiens (human)
negative regulation of stem cell differentiationCyclin-dependent kinase 12Homo sapiens (human)
protein phosphorylationCyclin-dependent kinase 12Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (34)

Processvia Protein(s)Taxonomy
transcription cis-regulatory region bindingCyclin-T1Homo sapiens (human)
DNA bindingCyclin-T1Homo sapiens (human)
chromatin bindingCyclin-T1Homo sapiens (human)
protein bindingCyclin-T1Homo sapiens (human)
protein kinase bindingCyclin-T1Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activator activityCyclin-T1Homo sapiens (human)
RNA polymerase bindingCyclin-T1Homo sapiens (human)
7SK snRNA bindingCyclin-T1Homo sapiens (human)
DNA-binding transcription factor bindingCyclin-T1Homo sapiens (human)
molecular condensate scaffold activityCyclin-T1Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activityCyclin-KHomo sapiens (human)
protein bindingCyclin-KHomo sapiens (human)
RNA polymerase II CTD heptapeptide repeat kinase activityCyclin-KHomo sapiens (human)
protein kinase bindingCyclin-KHomo sapiens (human)
cyclin-dependent protein serine/threonine kinase activator activityCyclin-KHomo sapiens (human)
cytokine activityInterferon betaHomo sapiens (human)
cytokine receptor bindingInterferon betaHomo sapiens (human)
type I interferon receptor bindingInterferon betaHomo sapiens (human)
protein bindingInterferon betaHomo sapiens (human)
chloramphenicol O-acetyltransferase activityInterferon betaHomo sapiens (human)
protein bindingCyclin-A2Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase regulator activityCyclin-A2Homo sapiens (human)
protein kinase bindingCyclin-A2Homo sapiens (human)
protein domain specific bindingCyclin-A2Homo sapiens (human)
histone kinase activityCyclin-dependent kinase 2Homo sapiens (human)
magnesium ion bindingCyclin-dependent kinase 2Homo sapiens (human)
protein serine/threonine kinase activityCyclin-dependent kinase 2Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activityCyclin-dependent kinase 2Homo sapiens (human)
protein bindingCyclin-dependent kinase 2Homo sapiens (human)
ATP bindingCyclin-dependent kinase 2Homo sapiens (human)
protein domain specific bindingCyclin-dependent kinase 2Homo sapiens (human)
cyclin bindingCyclin-dependent kinase 2Homo sapiens (human)
cyclin-dependent protein kinase activityCyclin-dependent kinase 2Homo sapiens (human)
protein serine kinase activityCyclin-dependent kinase 2Homo sapiens (human)
protein kinase activityCyclin-dependent kinase 7Homo sapiens (human)
protein serine/threonine kinase activityCyclin-dependent kinase 7Homo sapiens (human)
protein bindingCyclin-dependent kinase 7Homo sapiens (human)
ATP bindingCyclin-dependent kinase 7Homo sapiens (human)
ATP-dependent activity, acting on DNACyclin-dependent kinase 7Homo sapiens (human)
RNA polymerase II CTD heptapeptide repeat kinase activityCyclin-dependent kinase 7Homo sapiens (human)
protein serine kinase activityCyclin-dependent kinase 7Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activityCyclin-dependent kinase 7Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingCyclin-dependent kinase 9Homo sapiens (human)
transcription coactivator bindingCyclin-dependent kinase 9Homo sapiens (human)
DNA bindingCyclin-dependent kinase 9Homo sapiens (human)
chromatin bindingCyclin-dependent kinase 9Homo sapiens (human)
transcription elongation factor activityCyclin-dependent kinase 9Homo sapiens (human)
protein kinase activityCyclin-dependent kinase 9Homo sapiens (human)
protein serine/threonine kinase activityCyclin-dependent kinase 9Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activityCyclin-dependent kinase 9Homo sapiens (human)
protein bindingCyclin-dependent kinase 9Homo sapiens (human)
ATP bindingCyclin-dependent kinase 9Homo sapiens (human)
RNA polymerase II CTD heptapeptide repeat kinase activityCyclin-dependent kinase 9Homo sapiens (human)
kinase activityCyclin-dependent kinase 9Homo sapiens (human)
protein kinase bindingCyclin-dependent kinase 9Homo sapiens (human)
7SK snRNA bindingCyclin-dependent kinase 9Homo sapiens (human)
protein serine kinase activityCyclin-dependent kinase 9Homo sapiens (human)
RNA polymerase II general transcription initiation factor activityCyclin-HHomo sapiens (human)
protein bindingCyclin-HHomo sapiens (human)
cyclin-dependent protein serine/threonine kinase regulator activityCyclin-HHomo sapiens (human)
protein bindingCDK-activating kinase assembly factor MAT1Homo sapiens (human)
zinc ion bindingCDK-activating kinase assembly factor MAT1Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activator activityCDK-activating kinase assembly factor MAT1Homo sapiens (human)
RNA bindingCyclin-dependent kinase 13Homo sapiens (human)
protein kinase activityCyclin-dependent kinase 13Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activityCyclin-dependent kinase 13Homo sapiens (human)
protein bindingCyclin-dependent kinase 13Homo sapiens (human)
ATP bindingCyclin-dependent kinase 13Homo sapiens (human)
RNA polymerase II CTD heptapeptide repeat kinase activityCyclin-dependent kinase 13Homo sapiens (human)
protein kinase bindingCyclin-dependent kinase 13Homo sapiens (human)
cyclin bindingCyclin-dependent kinase 13Homo sapiens (human)
protein serine kinase activityCyclin-dependent kinase 13Homo sapiens (human)
protein kinase activityCyclin-dependent kinase 12Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activityCyclin-dependent kinase 12Homo sapiens (human)
protein bindingCyclin-dependent kinase 12Homo sapiens (human)
ATP bindingCyclin-dependent kinase 12Homo sapiens (human)
RNA polymerase II CTD heptapeptide repeat kinase activityCyclin-dependent kinase 12Homo sapiens (human)
protein kinase bindingCyclin-dependent kinase 12Homo sapiens (human)
cyclin bindingCyclin-dependent kinase 12Homo sapiens (human)
protein serine kinase activityCyclin-dependent kinase 12Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (44)

Processvia Protein(s)Taxonomy
nucleolusCyclin-T1Homo sapiens (human)
nucleusCyclin-T1Homo sapiens (human)
nucleusCyclin-T1Homo sapiens (human)
nucleoplasmCyclin-T1Homo sapiens (human)
cytosolCyclin-T1Homo sapiens (human)
cyclin/CDK positive transcription elongation factor complexCyclin-T1Homo sapiens (human)
P-TEFb complexCyclin-T1Homo sapiens (human)
cyclin K-CDK12 complexCyclin-KHomo sapiens (human)
cyclin K-CDK13 complexCyclin-KHomo sapiens (human)
nucleoplasmCyclin-KHomo sapiens (human)
nucleusCyclin-KHomo sapiens (human)
cyclin/CDK positive transcription elongation factor complexCyclin-KHomo sapiens (human)
extracellular spaceInterferon betaHomo sapiens (human)
extracellular regionInterferon betaHomo sapiens (human)
female pronucleusCyclin-A2Homo sapiens (human)
male pronucleusCyclin-A2Homo sapiens (human)
nucleusCyclin-A2Homo sapiens (human)
nucleoplasmCyclin-A2Homo sapiens (human)
cytoplasmCyclin-A2Homo sapiens (human)
cytosolCyclin-A2Homo sapiens (human)
cyclin A2-CDK1 complexCyclin-A2Homo sapiens (human)
cyclin A2-CDK2 complexCyclin-A2Homo sapiens (human)
cyclin-dependent protein kinase holoenzyme complexCyclin-A2Homo sapiens (human)
nucleusCyclin-A2Homo sapiens (human)
centrosomeCyclin-A2Homo sapiens (human)
cytoplasmCyclin-A2Homo sapiens (human)
chromosome, telomeric regionCyclin-dependent kinase 2Homo sapiens (human)
condensed chromosomeCyclin-dependent kinase 2Homo sapiens (human)
X chromosomeCyclin-dependent kinase 2Homo sapiens (human)
Y chromosomeCyclin-dependent kinase 2Homo sapiens (human)
male germ cell nucleusCyclin-dependent kinase 2Homo sapiens (human)
nucleusCyclin-dependent kinase 2Homo sapiens (human)
nuclear envelopeCyclin-dependent kinase 2Homo sapiens (human)
nucleoplasmCyclin-dependent kinase 2Homo sapiens (human)
cytoplasmCyclin-dependent kinase 2Homo sapiens (human)
endosomeCyclin-dependent kinase 2Homo sapiens (human)
centrosomeCyclin-dependent kinase 2Homo sapiens (human)
cytosolCyclin-dependent kinase 2Homo sapiens (human)
Cajal bodyCyclin-dependent kinase 2Homo sapiens (human)
cyclin A1-CDK2 complexCyclin-dependent kinase 2Homo sapiens (human)
cyclin A2-CDK2 complexCyclin-dependent kinase 2Homo sapiens (human)
cyclin E1-CDK2 complexCyclin-dependent kinase 2Homo sapiens (human)
cyclin E2-CDK2 complexCyclin-dependent kinase 2Homo sapiens (human)
cyclin-dependent protein kinase holoenzyme complexCyclin-dependent kinase 2Homo sapiens (human)
transcription regulator complexCyclin-dependent kinase 2Homo sapiens (human)
cytoplasmCyclin-dependent kinase 2Homo sapiens (human)
nucleusCyclin-dependent kinase 2Homo sapiens (human)
cyclin-dependent protein kinase holoenzyme complexCyclin-dependent kinase 7Homo sapiens (human)
fibrillar centerCyclin-dependent kinase 7Homo sapiens (human)
male germ cell nucleusCyclin-dependent kinase 7Homo sapiens (human)
nucleusCyclin-dependent kinase 7Homo sapiens (human)
nucleoplasmCyclin-dependent kinase 7Homo sapiens (human)
cytosolCyclin-dependent kinase 7Homo sapiens (human)
plasma membraneCyclin-dependent kinase 7Homo sapiens (human)
perinuclear region of cytoplasmCyclin-dependent kinase 7Homo sapiens (human)
transcription factor TFIIH core complexCyclin-dependent kinase 7Homo sapiens (human)
transcription factor TFIIH holo complexCyclin-dependent kinase 7Homo sapiens (human)
CAK-ERCC2 complexCyclin-dependent kinase 7Homo sapiens (human)
transcription factor TFIIK complexCyclin-dependent kinase 7Homo sapiens (human)
cytoplasmCyclin-dependent kinase 7Homo sapiens (human)
nucleusCyclin-dependent kinase 7Homo sapiens (human)
nucleusCyclin-dependent kinase 9Homo sapiens (human)
nucleusCyclin-dependent kinase 9Homo sapiens (human)
nucleoplasmCyclin-dependent kinase 9Homo sapiens (human)
cyclin/CDK positive transcription elongation factor complexCyclin-dependent kinase 9Homo sapiens (human)
membraneCyclin-dependent kinase 9Homo sapiens (human)
PML bodyCyclin-dependent kinase 9Homo sapiens (human)
cytoplasmic ribonucleoprotein granuleCyclin-dependent kinase 9Homo sapiens (human)
transcription elongation factor complexCyclin-dependent kinase 9Homo sapiens (human)
P-TEFb complexCyclin-dependent kinase 9Homo sapiens (human)
cyclin-dependent protein kinase holoenzyme complexCyclin-HHomo sapiens (human)
nucleoplasmCyclin-HHomo sapiens (human)
transcription factor TFIIH core complexCyclin-HHomo sapiens (human)
transcription factor TFIIH holo complexCyclin-HHomo sapiens (human)
CAK-ERCC2 complexCyclin-HHomo sapiens (human)
transcription factor TFIIK complexCyclin-HHomo sapiens (human)
nucleusCyclin-HHomo sapiens (human)
cyclin-dependent protein kinase holoenzyme complexCDK-activating kinase assembly factor MAT1Homo sapiens (human)
nucleoplasmCDK-activating kinase assembly factor MAT1Homo sapiens (human)
transcription factor TFIIH core complexCDK-activating kinase assembly factor MAT1Homo sapiens (human)
transcription factor TFIIH holo complexCDK-activating kinase assembly factor MAT1Homo sapiens (human)
CAK-ERCC2 complexCDK-activating kinase assembly factor MAT1Homo sapiens (human)
transcription factor TFIIK complexCDK-activating kinase assembly factor MAT1Homo sapiens (human)
cyclin K-CDK13 complexCyclin-dependent kinase 13Homo sapiens (human)
extracellular regionCyclin-dependent kinase 13Homo sapiens (human)
extracellular spaceCyclin-dependent kinase 13Homo sapiens (human)
nucleoplasmCyclin-dependent kinase 13Homo sapiens (human)
Golgi apparatusCyclin-dependent kinase 13Homo sapiens (human)
cytosolCyclin-dependent kinase 13Homo sapiens (human)
nuclear speckCyclin-dependent kinase 13Homo sapiens (human)
ficolin-1-rich granule lumenCyclin-dependent kinase 13Homo sapiens (human)
nuclear cyclin-dependent protein kinase holoenzyme complexCyclin-dependent kinase 13Homo sapiens (human)
nucleusCyclin-dependent kinase 13Homo sapiens (human)
cyclin/CDK positive transcription elongation factor complexCyclin-dependent kinase 13Homo sapiens (human)
cyclin K-CDK12 complexCyclin-dependent kinase 12Homo sapiens (human)
nucleoplasmCyclin-dependent kinase 12Homo sapiens (human)
nuclear speckCyclin-dependent kinase 12Homo sapiens (human)
nuclear cyclin-dependent protein kinase holoenzyme complexCyclin-dependent kinase 12Homo sapiens (human)
nucleusCyclin-dependent kinase 12Homo sapiens (human)
cyclin/CDK positive transcription elongation factor complexCyclin-dependent kinase 12Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (32)

Assay IDTitleYearJournalArticle
AID1347412qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347414qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Secondary screen by immunofluorescence2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1609468Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin) in presence of Km ATP2019Bioorganic & medicinal chemistry letters, 10-15, Volume: 29, Issue:20
Cyclin dependent kinase (CDK) inhibitors as anticancer drugs: Recent advances (2015-2019).
AID1651624Selectivity index, ratio of IC50 for CDK12 (unknown origin) to IC50 for CDK7 (unknown origin)2020Journal of medicinal chemistry, 07-23, Volume: 63, Issue:14
CDK7 Inhibitors in Cancer Therapy: The Sweet Smell of Success?
AID1769514Antiproliferative activity against human Kelly cells harboring CDK12 C1039F mutant assessed as reduction in cell viability incubated for 72 hrs by CellTiter-Glo assay2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1769561Downregulation of RNA polymerase 2 in human Jurkat cells at 1 uM measured after 6 hrs by immunoblotting analysis2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1769507Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzyme for 5 mins followed by substrate addition for 15 mins in presence of [gamma 32P-ATP] by radioactive kina2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1651619Inhibition of CDK12 (unknown origin)2020Journal of medicinal chemistry, 07-23, Volume: 63, Issue:14
CDK7 Inhibitors in Cancer Therapy: The Sweet Smell of Success?
AID1743751Inhibition of CDK13/human cyclin K expressed in baculovirus-infected insect cells using pol2 CTD-peptide substrate and [gammaP]ATP by scintillation counting method2020Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23
Synthetic Lethality through the Lens of Medicinal Chemistry.
AID1356612Time dependent inhibition of human CDK12 incubated for 0 to 5 hrs using ULight-4E-BP1 (Thr37/Thr46) substrate by LANCE system based assay2018Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17
Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
AID1769564Antiproliferative activity against human Kelly cells harboring wild type CDK12 assessed as reduction in cell viability incubated for 72 hrs by CelTiter-Glo assay2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1820822Protac activity at human CDK12/CycK in human MDA-MB-231 cells assessed as downregulation of Mcl-1 level upto 30 uM measured after 24 hrs by Western blotting assay2022European journal of medicinal chemistry, Jan-15, Volume: 228Noncovalent CDK12/13 dual inhibitors-based PROTACs degrade CDK12-Cyclin K complex and induce synthetic lethality with PARP inhibitor.
AID1651611Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition2020Journal of medicinal chemistry, 07-23, Volume: 63, Issue:14
CDK7 Inhibitors in Cancer Therapy: The Sweet Smell of Success?
AID1769547Inhibition of THZ1-biotin binding from CDK7 in human Jurkat cells at 1 uM incubated for 6 hrs by CyclinH antibody based competitive pull down assay2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1743750Inhibition of human CDK12/human cyclin K expressed in baculovirus-infected insect cells using pol2 CTD-peptide substrate and [gammaP]ATP by scintillation counting method2020Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23
Synthetic Lethality through the Lens of Medicinal Chemistry.
AID1769557Downregulation of RNA polymerase 2 CTD phosphorylation at Ser7 residue in human Jurkat cells at 1 uM incubated for 6 hrs by immunoblotting analysis2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1609469Competitive irreversible inhibition of CDK12/cyclinK (unknown origin) in presence of Km ATP2019Bioorganic & medicinal chemistry letters, 10-15, Volume: 29, Issue:20
Cyclin dependent kinase (CDK) inhibitors as anticancer drugs: Recent advances (2015-2019).
AID1651608Inhibition of CDK7 (unknown origin)2020Journal of medicinal chemistry, 07-23, Volume: 63, Issue:14
CDK7 Inhibitors in Cancer Therapy: The Sweet Smell of Success?
AID1880993Downregulation of cyclin K levels in human MINO cells up to 5 uM incubated for 2 hrs by immunoblotting analysis
AID1769502Antiproliferative activity against human TC71 cells assessed as reduction in cell viability2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1820791Protac activity at human CDK12/CycK in human Bel-7402 cells assessed as RNAP2 CTD Ser2 phosphorylation level at 0.1 to 30 uM measured after 24 hrs by Western blotting assay2022European journal of medicinal chemistry, Jan-15, Volume: 228Noncovalent CDK12/13 dual inhibitors-based PROTACs degrade CDK12-Cyclin K complex and induce synthetic lethality with PARP inhibitor.
AID1609470Competitive irreversible inhibition of CDK13/cyclinK (unknown origin) in presence of Km ATP2019Bioorganic & medicinal chemistry letters, 10-15, Volume: 29, Issue:20
Cyclin dependent kinase (CDK) inhibitors as anticancer drugs: Recent advances (2015-2019).
AID1609471Competitive irreversible inhibition of CDK9/cyclin T (unknown origin) in presence of Km ATP2019Bioorganic & medicinal chemistry letters, 10-15, Volume: 29, Issue:20
Cyclin dependent kinase (CDK) inhibitors as anticancer drugs: Recent advances (2015-2019).
AID1820793Protac activity at human CDK12/CycK in human MDA-MB-231 cells assessed as RNAP2 CTD Ser2 phosphorylation level at 0.1 to 30 uM measured after 24 hrs by Western blotting assay2022European journal of medicinal chemistry, Jan-15, Volume: 228Noncovalent CDK12/13 dual inhibitors-based PROTACs degrade CDK12-Cyclin K complex and induce synthetic lethality with PARP inhibitor.
AID1769553Downregulation of RNA polymerase 2 CTD phosphorylation at Ser5 residue in human Jurkat cells at 1 uM incubated for 6 hrs by immunoblotting analysis2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1769506Inhibition of human recombinant CDK12/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzyme for 5 mins followed by substrate addition for 15 mins in presence of [gamma 32P-ATP] by radioactive kina2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1769503Inhibition of CDK2/Cyclin A (unknown origin)2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1769505Inhibition of CDK9/Cyclin T1 (unknown origin)2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1820806Protac activity at human CDK12/CycK in human Bel-7402 cells assessed as downregulation of Mcl-1 level upto 30 uM measured after 24 hrs by Western blotting assay2022European journal of medicinal chemistry, Jan-15, Volume: 228Noncovalent CDK12/13 dual inhibitors-based PROTACs degrade CDK12-Cyclin K complex and induce synthetic lethality with PARP inhibitor.
AID1769504Inhibition of CDK7/Cyclin H (unknown origin)2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
AID1769511Inhibition of CDK12/13 in human jurkat cells assessed as reduction in RNA polymerase 2 CTD phosphorylation at Ser2 residue at 1 uM measured after 6 hrs by immunoblotting analysis2021European journal of medicinal chemistry, Oct-05, Volume: 221Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (19)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's4 (21.05)24.3611
2020's15 (78.95)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 31.00

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index31.00 (24.57)
Research Supply Index3.00 (2.92)
Research Growth Index4.86 (4.65)
Search Engine Demand Index35.06 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (31.00)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews3 (15.79%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other16 (84.21%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
aurintricarboxylic acid
Aurintricarboxylic Acid: A dye which inhibits protein biosynthesis at the initial stages. The ammonium salt (aluminon) is a reagent for the colorimetric estimation of aluminum in water, foods, and tissues.. aurintricarboxylic acid : A member of the class of quinomethanes that is 3-methylidene-6-oxocyclohexa-1,4-diene-1-carboxylic acid in which the methylidene hydrogens are replaced by 4-carboxy-3-hydroxyphenyl groups. The trisodium salt is the biological stain 'chrome violet CG' while the triammonium salt is 'aluminon'.		3.3510monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid		fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist
gossypol
Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer.		3.3510
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source		3.3510chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
staurosporine
[no description available]		2.1710indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
epigallocatechin gallate
epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.		3.3510flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
gallocatechol
(-)-epigallocatechin : A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration.		3.3510catechin;
flavan-3,3',4',5,5',7-hexol		antioxidant;
food component;
plant metabolite
strictinin
strictinin: antioxidant from green tea leaves (Camellia sinensis L.); structure in first source		3.3510
6-hydroxydopa
6-hydroxydopa: RN given refers to cpd without isomeric designation		3.3510non-proteinogenic alpha-amino acid
pomalidomide
3-aminophthalimidoglutarimide: structure in first source		2.4110aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
cyc 202
seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.		4.24202,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
sorafenib
[no description available]		2.2510(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea
N-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea: structure in first source		2.610
ku 55933
2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one: specific inhibitor of the ataxia-telangiectasia mutated kinase ATM; structure in first source		3.3510
pd 166285
[no description available]		3.3510
cysteine
Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.		2.1310cysteiniumfundamental metabolite
olaparib
[no description available]		2.4110cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
mk-1775
adavosertib: a Wee1 kinase inhibitor; structure in first source		3.3510piperazines
bs 194
[no description available]		3.3110
pf 3758309
PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source		3.3510organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
cp 466722
[no description available]		3.3510quinazolines
dinaciclib
[no description available]		3.3510pyrazolopyrimidine
bs-181
BS-181: a CDK7 inhibitor with antineoplastic activity		4.2420pyrazolopyrimidine
ConditionIndicatedRelationship StrengthStudiesTrials
Breast Cancer
[description not available]		03.8630
Breast Neoplasms
Tumors or cancer of the human BREAST.		03.8630
Benign Neoplasms
[description not available]		04.0420
Neoplasms
New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.		04.0420
Kahler Disease
[description not available]		02.4110
Multiple Myeloma
A malignancy of mature PLASMA CELLS engaging in monoclonal immunoglobulin production. It is characterized by hyperglobulinemia, excess Bence-Jones proteins (free monoclonal IMMUNOGLOBULIN LIGHT CHAINS) in the urine, skeletal destruction, bone pain, and fractures. Other features include ANEMIA; HYPERCALCEMIA; and RENAL INSUFFICIENCY.		07.4110
ER-Negative PR-Negative HER2-Negative Breast Cancer
[description not available]		02.610
Triple Negative Breast Neoplasms
Breast neoplasms that do not express ESTROGEN RECEPTORS; PROGESTERONE RECEPTORS; and do not overexpress the NEU RECEPTOR/HER-2 PROTO-ONCOGENE PROTEIN.		02.610
Cancer of Ovary
[description not available]		02.610
Ovarian Neoplasms
Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.		02.610
Benign Cerebellar Neoplasms
[description not available]		02.610
Arachnoidal Cerebellar Sarcoma, Circumscribed
[description not available]		02.610
Medulloblastoma
A malignant neoplasm that may be classified either as a glioma or as a primitive neuroectodermal tumor of childhood (see NEUROECTODERMAL TUMOR, PRIMITIVE). The tumor occurs most frequently in the first decade of life with the most typical location being the cerebellar vermis. Histologic features include a high degree of cellularity, frequent mitotic figures, and a tendency for the cells to organize into sheets or form rosettes. Medulloblastoma have a high propensity to spread throughout the craniospinal intradural axis. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2060-1)		02.610
Hepatocellular Carcinoma
[description not available]		02.2510
Cancer of Liver
[description not available]		02.2510
Carcinoma, Hepatocellular
A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.		02.2510
Liver Neoplasms
Tumors or cancer of the LIVER.		02.2510
Thyroid Cancer, Anaplastic
[description not available]		02.2110
Cancer of the Thyroid
[description not available]		02.2110
Thyroid Neoplasms
Tumors or cancer of the THYROID GLAND.		02.2110
Thyroid Carcinoma, Anaplastic
An aggressive THYROID GLAND malignancy which generally occurs in IODINE-deficient areas in people with previous thyroid pathology such as GOITER. It is associated with CELL DEDIFFERENTIATION of THYROID CARCINOMA (e.g., FOLLICULAR THYROID CARCINOMA; PAPILLARY THYROID CANCER). Typical initial presentation is a rapidly growing neck mass which upon metastasis is associated with DYSPHAGIA; NECK PAIN; bone pain; DYSPNEA; and NEUROLOGIC DEFICITS.		02.2110
Cancer of Prostate
[description not available]		02.3110
Prostatic Neoplasms
Tumors or cancer of the PROSTATE.		02.3110